2,3,5-tri(propan-2-yl)-1-benzothiophene

C17H24S — CID 167395930

IUPAC2,3,5-tri(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1ccc2sc(C(C)C)c(C(C)C)c2c1
InChIInChI=1S/C17H24S/c1-10(2)13-7-8-15-14(9-13)16(11(3)4)17(18-15)12(5)6/h7-12H,1-6H3
InChIKeyKRQKRQLHPUTXIL-UHFFFAOYSA-N
MW260.45 g/mol
LogP6.27
Rot. Bonds3

About 2,3,5-tri(propan-2-yl)-1-benzothiophene

2,3,5-tri(propan-2-yl)-1-benzothiophene (PubChem CID 167395930) has the molecular formula C17H24S and a molecular weight of 260.45 g/mol. Its IUPAC name is 2,3,5-tri(propan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2,3,5-tri(propan-2-yl)-1-benzothiophene
PubChem CID167395930
Molecular FormulaC17H24S
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name2,3,5-tri(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1ccc2sc(C(C)C)c(C(C)C)c2c1
InChIInChI=1S/C17H24S/c1-10(2)13-7-8-15-14(9-13)16(11(3)4)17(18-15)12(5)6/h7-12H,1-6H3
InChIKeyKRQKRQLHPUTXIL-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.45
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
CID 58128812
N-benzyl-2,3-di(propan-2-yl)-1-benzothiophen-5-amine
CID 58128823
(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 81049299
cerium;2-propan-2-ylthioxanthen-9-one
CID 174919316
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 81049832
6-fluoro-2-propan-2-ylthioxanthen-9-one
CID 620918
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
CID 70798009
diphenylmethanone;2-propan-2-ylthioxanthen-9-one
CID 158949201
5-propan-2-yl-1,2-benzothiazole-3-carbaldehyde
CID 174861521
2-[(dimethylamino)methyl]-8-propan-2-yl-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 135927939

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tri(propan-2-yl)-1-benzothiophene?
The IUPAC name of 2,3,5-tri(propan-2-yl)-1-benzothiophene (CID 167395930) is 2,3,5-tri(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 2,3,5-tri(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 2,3,5-tri(propan-2-yl)-1-benzothiophene is CC(C)c1ccc2sc(C(C)C)c(C(C)C)c2c1.
What is the InChIKey of 2,3,5-tri(propan-2-yl)-1-benzothiophene?
The InChIKey is KRQKRQLHPUTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24S/c1-10(2)13-7-8-15-14(9-13)16(11(3)4)17(18-15)12(5)6/h7-12H,1-6H3.
What are the key properties of 2,3,5-tri(propan-2-yl)-1-benzothiophene?
2,3,5-tri(propan-2-yl)-1-benzothiophene has a molecular weight of 260.45 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tri(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 167395930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).